Spektraris NMR
Colossolactone F
Common Name: Colossolactone F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O7/c1-17-8-12-26(38-29(17)36)18(2)24-15-27(37-19(3)33)32(7)23-11-10-22-20(9-13-28(35)39-30(22,4)5)14-21(23)25(34)16-31(24,32)6/h8-9,13-14,18,22,24-27,34H,10-12,15-16H2,1-7H3/t18-,22+,24+,25-,26?,27+,31+,32+/m0/s1
InChIKey: InChIKey=FXEFUBDUKMWZAN-PGNRDARCSA-N
Formula: C32H42O7
Molecular Weight: 538.672895
Exact Mass: 538.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kleinwachter, P., Anh, N., Kiet, T.T., Schlegel, B., Dahse, H.M., Hartl, A., Grafe, U. J Nat Prod (2001) 64, 236-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 144.24 |
| 2 (CH) | 118.5 |
| 3 (C) | 166.79 |
| 4 (C) | 80.64 |
| 5 (CH) | 49.18 |
| 6 (CH2) | 37.28 |
| 7 (CH2) | 27.21 |
| 8 (C) | 149.29 |
| 9 (C) | 131.79 |
| 10 (CH) | 140.11 |
| 11 (CH) | 67.68 |
| 12 (CH2) | 42.46 |
| 13 (C) | 43.17 |
| 14 (C) | 55.58 |
| 15 (CH) | 77.57 |
| 16 (CH2) | 38.5 |
| 17 (CH) | 45.13 |
| 18 (CH3) | 18.87 |
| 19 (C) | 141.03 |
| 20 (CH) | 39.86 |
| 21 (CH3) | 13.24 |
| 22 (CH) | 79.62 |
| 23 (CH2) | 27.72 |
| 24 (CH) | 139.38 |
| 25 (C) | 128.36 |
| 26 (C) | 166.24 |
| 27 (CH3) | 17.07 |
| 28 (CH3) | 28.13 |
| 29 (CH3) | 26.71 |
| 30 (CH3) | 25.4 |
| 15a (C) | 170.26 |
| 15b (CH3) | 21.38 |
